3-[2-(cyclopentylidenemethoxy)ethyl]oxepane

C14H24O2 — CID 176604561

IUPAC3-[2-(cyclopentylidenemethoxy)ethyl]oxepane
SMILESC(OCCC1CCCCOC1)=C1CCCC1
InChIInChI=1S/C14H24O2/c1-2-6-13(5-1)11-16-10-8-14-7-3-4-9-15-12-14/h11,14H,1-10,12H2
InChIKeyFCFRQZYYNMLXGQ-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.67
Rot. Bonds4

About 3-[2-(cyclopentylidenemethoxy)ethyl]oxepane

3-[2-(cyclopentylidenemethoxy)ethyl]oxepane (PubChem CID 176604561) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 3-[2-(cyclopentylidenemethoxy)ethyl]oxepane.

Molecular Properties

Compound Name3-[2-(cyclopentylidenemethoxy)ethyl]oxepane
PubChem CID176604561
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name3-[2-(cyclopentylidenemethoxy)ethyl]oxepane
SMILESC(OCCC1CCCCOC1)=C1CCCC1
InChIInChI=1S/C14H24O2/c1-2-6-13(5-1)11-16-10-8-14-7-3-4-9-15-12-14/h11,14H,1-10,12H2
InChIKeyFCFRQZYYNMLXGQ-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(Cyclopentylidenemethoxy)propyl]-4-ethyloxepane
CID 176603108
3-[2-(2-Methylprop-1-enoxy)ethyl]oxepane
CID 176604637
3-[2-(Cyclopentylidenemethoxy)ethyl]oxocane
CID 176604857
3-[1-(Cyclopentylidenemethoxy)ethyl]oxepane
CID 176604873
3-[3-(Cyclopentylidenemethoxy)propyl]oxepane
CID 176605030
3-[2-(Cyclopentylidenemethoxy)ethyl]oxane
CID 176605131
3-[2-(Cyclohexylidenemethoxy)ethyl]oxepane
CID 176605199

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopentylidenemethoxy)ethyl]oxepane?
The IUPAC name of 3-[2-(cyclopentylidenemethoxy)ethyl]oxepane (CID 176604561) is 3-[2-(cyclopentylidenemethoxy)ethyl]oxepane.
What is the SMILES notation for 3-[2-(cyclopentylidenemethoxy)ethyl]oxepane?
The canonical SMILES for 3-[2-(cyclopentylidenemethoxy)ethyl]oxepane is C(OCCC1CCCCOC1)=C1CCCC1.
What is the InChIKey of 3-[2-(cyclopentylidenemethoxy)ethyl]oxepane?
The InChIKey is FCFRQZYYNMLXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-2-6-13(5-1)11-16-10-8-14-7-3-4-9-15-12-14/h11,14H,1-10,12H2.
What are the key properties of 3-[2-(cyclopentylidenemethoxy)ethyl]oxepane?
3-[2-(cyclopentylidenemethoxy)ethyl]oxepane has a molecular weight of 224.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopentylidenemethoxy)ethyl]oxepane is sourced from PubChem (CID 176604561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).